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Search term: PTJJTQQVMKSSOK-WXUKJITCSA-K (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2R,8S)-2-[(9Z)-9-Hexadecenoyloxy]-5,8,11,11-tetrahydroxy-5,11-dioxido-4,6,10-trioxa-5lambda~5~,11lambda~5~-diphosphaundec-1-yl (9Z)-9-hexadecenoate | C38H72O13P2

(2R,8S)-2-[(9Z)-9-Hexadecenoyloxy]-5,8,11,11-tetrahydroxy-5,11-dioxido-4,6,10-trioxa-5λ5,11λ5-diphosphaundec-1-yl (9Z)-9-hexadecenoate

  • Molecular FormulaC38H72O13P2
  • Average mass798.918 Da
  • Monoisotopic mass798.444824 Da
  • ChemSpider ID35032667

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R,8S)-2-[(9Z)-9-Hexadecenoyloxy]-5,8,11,11-tetrahydroxy-5,11-dioxido-4,6,10-trioxa-5λ5,11λ5-diphosphaundec-1-yl (9Z)-9-hexadecenoate [ACD/IUPAC Name]
(2R,8S)-2-[(9Z)-9-Hexadecenoyloxy]-5,8,11,11-tetrahydroxy-5,11-dioxido-4,6,10-trioxa-5λ5,11λ5-diphosphaundec-1-yl-(9Z)-9-hexadecenoat [German] [ACD/IUPAC Name]
(9Z)-9-Hexadécénoate de (2R,8S)-2-[(9Z)-9-hexadecenoyloxy]-5,8,11,11-tétrahydroxy-5,11-dioxydo-4,6,10-trioxa-5λ5,11λ5-diphosphaundéc-1-yle [French] [ACD/IUPAC Name]
9-Hexadecenoic acid, (1R)-2-[[hydroxy[(2S)-2-hydroxy-3-(phosphonooxy)propoxy]phosphinyl]oxy]-1-[[[(9Z)-1-oxo-9-hexadecen-1-yl]oxy]methyl]ethyl ester, (9Z)- [ACD/Index Name]
(2S)-3-{[(2R)-2,3-bis[(9Z)-hexadec-9-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxyphosphonic acid
[(2S)-3-({[(2R)-2,3-bis[(9Z)-hexadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid
1,2-Dipalmitoleoyl-rac-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
3-Sn-phosphatidyl-1'-sn-glycerol 3'-phosphoric acid
PGP(16:1(9Z)/16:1(9Z))
PGP(16:1/16:1)
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 831.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.4±6.0 kJ/mol
Flash Point: 456.4±37.1 °C
Index of Refraction: 1.496
Molar Refractivity: 206.8±0.3 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 40
#Rule of 5 Violations: 3
ACD/LogP: 11.46
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 81.10
ACD/KOC (pH 5.5): 41.00
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 15.21
ACD/KOC (pH 7.4): 7.69
Polar Surface Area: 215 Å2
Polarizability: 82.0±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 708.1±3.0 cm3

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